6357 - 6360 |
Preface for the Forum on Insights into Spectroscopy and Reactivity from Electronic Structure Theory Gagliardi L, Solomon EI |
6361 - 6373 |
Two [1,2,4-(Me3C)(3)C5H2](2)CeH Molecules are Involved in Hydrogenation of Pyridine to Piperidine as Shown by Experiments and Computations Perrin L, Werkema EL, Eisenstein O, Andersen RA |
6374 - 6385 |
Restricted Open-Shell Configuration Interaction Cluster Calculations of the L-Edge X-ray Absorption Study of TiO2 and CaF2 Solids Maganas D, DeBeer S, Neese F |
6386 - 6397 |
What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting? Mavros MG, Tsuchimochi T, Kowalczyk T, McIsaac A, Wang LP, Van Voorhis T |
6398 - 6414 |
Characterization of the Bridged Hyponitrite Complex {[Fe(OEP)](2)(mu-N2O2)}: Reactivity of Hyponitrite Complexes and Biological Relevance Berto TC, Xu N, Lee SR, McNeil AJ, Alp EE, Zhao JY, Richter-Addo GB, Lehnert N |
6415 - 6426 |
Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex Freitag L, Gonzalez L |
6427 - 6443 |
Proton-Coupled Electron Transfer in Molecular Electrocatalysis: Theoretical Methods and Design Principles Solis BH, Hammes-Schiffer S |
6444 - 6457 |
sigma-Bond Activation of Small Molecules and Reactions Catalyzed by Transition-Metal Complexes: Theoretical Understanding of Electronic Processes Guan W, Sayyed FB, Zeng GX, Sakaki S |
6458 - 6472 |
Linking Chemical Electron Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron-Copper Dinuclear Complex Noodleman L, Du WGH, Fee JA, Gotz AW, Walker RC |
6473 - 6481 |
Electronic Structure and Formation of Simple Ferryloxo Complexes: Mechanism of the Fenton Reaction Petit AS, Pennifold RCR, Harvey JN |
6482 - 6490 |
Reaction Mechanisms of Small-Molecule Activation by Amidoditetrylynes R2N-EE-NR2 (E = Si, Ge, Sn) Hermann M, Jones C, Frenking G |
6491 - 6493 |
Addition of a Second Binding Site Increases the Dynamic Range but Alters the Cellular Localization of a Red Fluorescent Probe for Mobile Zinc Loas A, Radford RJ, Lippard SJ |
6494 - 6496 |
Lithium Cycling in a Self-Assembled Copper Chloride-Polyether Hybrid Electrode Jaffe A, Karunadasa HI |
6497 - 6499 |
A Highly Sensitive and Selective Fluorescent Sensor for Detection of Al3+ Using a Europium(III) Quinolinecarboxylate Xu WT, Zhou YF, Huang DC, Su MY, Wang K, Hong MC |
6500 - 6502 |
Structural Basis for Ligand Exchange on Au-25(SR)(18) Ni TW, Tofanelli MA, Phillips BD, Ackerson CJ |
6503 - 6511 |
Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition ("Click") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities Connell TU, Schieber C, Silvestri IP, White JM, Williams SJ, Donnelly PS |
6512 - 6523 |
A Novel Square-Planar Ni(II) Complex with an Amino-Carboxamido-Dithiolato-Type Ligand as an Active-Site Model of NiSOD Nakane D, Wasada-Tsutsui Y, Funahashi Y, Hatanaka T, Ozawa T, Masuda H |
6524 - 6533 |
Pentanuclear Heteronnetallic {Mn(2)(III)Ln(3)} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues Bag P, Chakraborty A, Rogez G, Chandrasekhar V |
6534 - 6543 |
Quantifying Local and Cooperative Components in the Ferroelectric Distortion of BaTiO3: Learning from the Off-Center Motion in the MnCl65-Complex Formed in KCI:Mn+ Garcia-Lastra JM, Garcia-Fernandez P, Calle-Vallejo F, Trueba A, Aramburu JA, Moreno M |
6544 - 6553 |
Electrocatalytic and Photocatalytic Conversion of CO2 to Methanol using Ruthenium Complexes with Internal Pyridyl Cocatalysts Boston DJ, Pachon YMF, Lezna RO, de Tacconi NR, MacDonnell FM |
6554 - 6568 |
Bifunctional Chelates Optimized for Molecular MRI Wiener EC, Abadjian MC, Sengar R, Vander Elst L, Van Niekerk C, Grotjahn DB, Leung PY, Schulte C, Moore CE, Rheingold AL |
6569 - 6577 |
Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid Richtera L, Jancik V, Martinez-Otero D, Pokluda A, Zak Z, Taraba J, Touzin J |
6578 - 6584 |
First Oxido-Bridged Cubo-Octahedral Hexanuclear Rhenium Clusters Krawczyk MS, Krawczyk MK, Siczek M, Lis T |
6585 - 6595 |
Structures of Delithiated and Degraded LiFeBO3, and Their Distinct Changes upon Electrochemical Cycling Bo SH, Nam KW, Borkiewicz OJ, Hu YY, Yang XQ, Chupas PJ, Chapman KW, Wu LJ, Zhang L, Wang F, Grey CP, Khalifah PG |
6596 - 6606 |
Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands Zhang FL, Ma DX, Duan L, Qiao J, Dong GF, Wang LD, Qiu Y |
6607 - 6614 |
Novel Garnet-Structure Ca2GdZr2(AlO4)(3):Ce3+ Phosphor and Its Structural Tuning of Optical Properties Gong XH, Huang JH, Chen YJ, Lin YF, Luo ZD, Huang YD |
6615 - 6623 |
Flux Growth of Yb6.6Ir6Sn16 Having Mixed-Valent Ytterbium Peter SC, Subbarao U, Rayaprol S, Martin JB, Balasubramanian M, Malliakas CD, Kanatzidis MG |
6624 - 6633 |
Tuning Excited States of Bipyridyl Platinum(II) Chromophores with pi-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties Moussa J, Chamoreau LM, Esposti AD, Gullo MP, Barbieri A, Amouri H |
6634 - 6654 |
A Study on Zr-Ir Multiple Bonding Active for C-H Bond Cleavage Oishi M, Oshima M, Suzuki H |
6655 - 6664 |
Differentially Selective Chemosensor with Fluorescence Off-On Responses on Cu2+ and Zn2+ Ions in Aqueous Media and Applications in Pyrophosphate Sensing, Live Cell Imaging, and Cytotoxicity Anbu S, Ravishankaran R, da Silva MFCG, Karande AA, Pombeiro AJL |
6665 - 6674 |
Reversible Switching of Electronic Ground State in a Pentacoordinated Cu(II) 1D Cationic Polymer and Structural Diversity Sasmal A, Garribba E, Rizzoli C, Mitra S |
6675 - 6683 |
Insight into the Coordination and the Binding Sites of Cu2+ by the Histidyl-6-Tag using Experimental and Computational Tools Watly J, Simonoysky E, Wieczorek R, Barbosa N, Miller Y, Kozlowski H |
6684 - 6697 |
Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-) Meier R, Platas-Iglesias C, Heinemann FW, Linti G, Schulte J, Srivastava SK |
6698 - 6707 |
Bispidine Dioxotetraaza Macrocycles: A New Class of Bispidines for Cu-64 PET Imaging Comba P, Kubeil M, Pietzsch J, Rudolf H, Stephan H, Zarschler K |
6708 - 6714 |
Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case Chen M, Sanudo EC, Jimenez E, Fang SM, Liu CS, Du M |
6715 - 6727 |
Kinetics and Mechanism of Styrene Epoxidation by Chlorite: Role of Chlorine Dioxide Leigh JK, Rajput J, Richardson DE |
6728 - 6736 |
Stabilization by Si Substitution of the Pseudobinary Compound Gd-2(Co3-xSix) with Magnetocaloric Properties around Room Temperature Tence S, Flores RC, Chable J, Gorsse S, Chevalier B, Gaudin E |
6737 - 6742 |
Hexa- and Trinuclear Organoantimony Oxo Clusters Stabilized by Organosilanols Kishore PVVN, Baskar V |
6743 - 6751 |
Synthesis, Luminescence, and Energy-Transfer Properties of beta-Na2Ca4(PO4)(2)(SiO4):A (A = Eu2+, Dy3+, Ce3+/Tb3+) Phosphors Li K, Shang MM, Geng DL, Lian HZ, Zhang Y, Fan J, Lin J |
6752 - 6760 |
Unravelling the S -> O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)(2)(DMSO)(2)](2+) Using Density Functional Theory Gottle AJ, Alary F, Dixon IM, Heully JL, Boggio-Pasqua M |
6761 - 6768 |
Novel Chemical Synthesis and Characterization of CeTi2O6 Brannerite Kong LG, Gregg DJ, Karatchevtseva I, Zhang ZM, Blackford MG, Middleburgh SC, Lumpkin GR, Triani G |
6769 - 6774 |
Investigation of Thorium Salts As Candidate Materials for Direct Observation of the Th-229m Nuclear Transition Ellis JK, Wen XD, Martin RL |
6775 - 6787 |
Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation Ishida Y, Kawaguchi H |
6788 - 6793 |
Intensive Upconversion Luminescence of Na-Codoped Rare-Earth Oxides with a Novel RE-Na Heterometallic Complex as Precursor Zheng XJ, Ablet A, Ng C, Wong WT |
6794 - 6804 |
Selective Formation of Gold(I) Bis-Phospholane Macrocycles, Polymeric Chains, and Nanotubes Streitberger M, Schmied A, Hey-Hawkins E |
6805 - 6816 |
Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8, Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR Properties Lampropoulos C, Thuijs AE, Mitchell KJ, Abboud KA, Christou G |
6817 - 6827 |
Synthesis of Luminescent Nanoporous Silica Spheres Functionalized with Folic Acid for Targeting to Cancer Cells Tagaya M, Ikoma T, Xu ZF, Tanaka J |
6828 - 6836 |
Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes Aluthge DC, Yan EX, Ahn JM, Mehrkhodavandi P |
6837 - 6843 |
Immobilization of Volatile and Corrosive Iodine Monochloride (ICI) and I-2 Reagents in a Stable Metal-Organic Framework He J, Duan JJ, Shi HT, Huang J, Huang JH, Yu L, Zeller M, Hunter AD, Xu ZT |
6844 - 6849 |
Room-Temperature Pressure-Induced Nanostructural CuInTe2 Thermoelectric Material with Low Thermal Conductivity Kosuga A, Umekage K, Matsuzawa M, Sakamoto Y, Yamada I |
6850 - 6855 |
Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)(3)Au+}(2)(C-60(center dot-))(2)(C-60)center dot C6H4Cl2 Containing Gold Cations with the C-3v Symmetry Konarev DV, Khasanov SS, Otsuka A, Ishikawa M, Yamochi H, Saito G, Lyubovskaya RN |
6856 - 6866 |
Reactivity Profile of a Peri-Substitution-Stabilized Phosphanylidene-Phosphorane: Synthetic, Structural, and Computational Studies Surgenor BA, Chalmers BA, Arachchige KSA, Slawin AMZ, Woollins JD, Buhl M, Kilian P |
6867 - 6874 |
Three-Coordinate Nickel(II) and Nickel(I) Thio late Complexes Based on the beta-Diketiminate Ligand System Horn B, Limberg C, Herwig C, Braun B |
6875 - 6885 |
A Hydrogen-Evolving Ni(P2N2)(2) Electrocatalyst Covalently Attached to a Glassy Carbon Electrode: Preparation, Characterization, and Catalysis. Comparisons with the Homogeneous Analogue Das AK, Engelhard MH, Bullock RM, Roberts JAS |
6886 - 6892 |
Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)(2)](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism Adonin SA, Peresypkina EV, Sokolov MN, Korolkov IV, Fedin VP |
6893 - 6903 |
Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy) Meng CY, Chen H, Wang P |
6904 - 6913 |
New Water Oxidation Chemistry of a Seven-Coordinate Ruthenium Complex with a Tetradentate Polypyridyl Ligand Muckerman JT, Kowalczyk M, Badiei YM, Polyansky DE, Concepcion JJ, Zong RF, Thummel RP, Fujita E |
6914 - 6919 |
Defect Creation by Linker Fragmentation in Metal-Organic Frameworks and Its Effects on Gas Uptake Properties Barin G, Krungleviciute V, Gutov O, Hupp JT, Yildirim T, Farha OK |
6920 - 6927 |
Synthesis and Characterization of Eight Compounds of the MU(8)Q(17) Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17 Ward MD, Mesbah A, Minasian SG, Shuh DK, Tyliszczak T, Lee M, Choi ES, Lebegue S, Ibers JA |
6928 - 6933 |
High-Resolution Solid-State Oxygen-17 NMR of Actinide-Bearing Compounds: An Insight into the 5f Chemistry Martel L, Magnani N, Vigier JF, Boshoven J, Selfslag C, Farnan I, Griveau JC, Somers J, Fanghanel T |
6934 - 6943 |
Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids Filak LK, Kalinowski DS, Bauer TJ, Richardson DR, Arion VB |
6944 - 6953 |
The Inverse Trans Influence in a Family of Pentavalent Uranium Complexes Lewis AJ, Mullane KC, Nakamaru-Ogiso E, Carroll PJ, Schelter EJ |
6954 - 6961 |
"Click" Synthesis of Nona-PEG-branched Triazole Dendrimers and Stabilization of Gold Nanoparticles That Efficiently Catalyze p-Nitrophenol Reduction Li N, Echeverria M, Moya S, Ruiz J, Astruc D |
6962 - 6968 |
Solid-State Si-29 NMR and Neutron-Diffraction Studies of Sr0.7K0.3SiO2.85 Oxide Ion Conductors Xu JG, Wang XM, Fu H, Brown CM, Jing XP, Liao FH, Lu FQ, Li XH, Kuang XJ, Wu MM |
6969 - 6978 |
Revised Bi/M Layered Oxo-Sulfate (M = Co, Cu): A Structural and Magnetic Study Lu MF, Colmont M, Kabbour H, Colis S, Mentre O |
6979 - 6984 |
How Lewis Acidity of the Cationic Framework Affects KNaNbOF5 Polymorphism Chang KB, Vinokur A, Pinlac RAF, Suchomel MR, Marvel MR, Poeppelmeier KR |
6985 - 6994 |
Gd(DOTAlaP): Exploring the Boundaries of Fast Water Exchange in Gadolinium-Based Magnetic Resonance Imaging Contrast Agents Boros E, Karimi S, Kenton N, Helm L, Caravan P |
6995 - 7013 |
U-CN versus Ce-NC Coordination in Trivalent Complexes Derived from M[N(SiMe3)(2)](3) (M = Ce, U) Herve A, Bouzidi Y, Berthet JC, Belkhiri L, Thuery P, Boucekkine A, Ephritikhine M |
7014 - 7019 |
Exploration of Chemically Cross-Linked Metal-Organic Frameworks Allen CA, Cohen SM |
7020 - 7027 |
Synthesis of beta-Mg2C3: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide Strobel TA, Kurakevych OO, Kim DY, Le Godec Y, Crichton W, Guignard J, Guignot N, Cody GD, Oganov AR |
7028 - 7039 |
Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex Atzori M, Pop F, Auban-Senzier P, Gomez-Garcia CJ, Canadell E, Artizzu F, Serpe A, Deplano P, Avarvari N, Mercuri ML |
7040 - 7046 |
Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite-Selenates, Sc-2(SeO3)(2)(SeO4) and Sc-2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc-2(TeO3)(3) Song SY, Lee DW, Ok KM |
7047 - 7054 |
Synthesis and Reactivity Studies of a Tin(II) Corrole Complex Yun L, Vazquez-Lima H, Fang HY, Yao ZM, Geisberger G, Dietl C, Ghosh A, Brothers PJ, Fu XF |
7055 - 7069 |
Fluorescence in Rhoda- and Iridacyclopentadienes Neglecting the Spin-Orbit Coupling of the Heavy Atom: The Ligand Dominates Steffen A, Costuas K, Boucekkine A, Thibault MH, Beeby A, Batsanov AS, Charaf-Eddin A, Jacquemin D, Halet JF, Marder TB |
7070 - 7070 |
Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole (vol 53, pg 5724, 2014) Islas MS, Medina JJM, Tevez LLL, Rojo T, Lezama L, Merino MG, Calleros L, Cortes MA, Puyol MR, Echeverria GA, Piro OE, Ferrer EG, Williams PAM |